[1]陆婷婷,闫峥峰,汪营磊,等.硝基乙腈钾合成1,2,4-三嗪氮杂稠环化合物的研究[J].爆破器材,2021,50(01):15-19.[doi:10.3969/j.issn.1001-8352.2021.01.003]
　LU Tingting,YAN Zhengfeng,WANG Yinglei,et al.Study on Synthesis of 1,2,4-Triazine Fused Compounds by Nitroacetonitrile Potassium[J].EXPLOSIVE MATERIALS,2021,50(01):15-19.[doi:10.3969/j.issn.1001-8352.2021.01.003]
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硝基乙腈钾合成1,2,4-三嗪氮杂稠环化合物的研究()
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《爆破器材》[ISSN:1001-8352/CN:32-1163/TJ]

卷:
50
期数:
2021年01
页码:
15-19
栏目:
基础理论
出版日期:
2021-01-22

文章信息/Info

Title:
Study on Synthesis of 1,2,4-Triazine Fused Compounds by Nitroacetonitrile Potassium
文章编号:
5503
作者:
陆婷婷; 闫峥峰; 汪营磊; 李建康
西安近代化学研究所(陕西西安，710065)
Author(s):
LU Tingting;  YAN Zhengfeng;  WANG Yinglei;  LI Jiankang
Xi＇an Modern Chemistry Research Institute (Shaanxi Xi＇an, 710065)
关键词:
硝基乙腈钾; AITX; 2-硝基-2-氰基乙酸乙酯钾（CNEAK）; 1; 2; 4-三嗪氮杂稠环化合物
Keywords:
nitroacetonitrile potassium;  AITX;  CNEAK;  1; 2; 4-triazine fused compounds
分类号:
TB322
DOI:
10.3969/j.issn.1001-8352.2021.01.003
文献标志码:
A
摘要:
以2-氰基-2-羟基亚氨基乙酸乙酯（NOCNEt）为原料，在碱性条件下经氧化、水解等反应，合成了硝基乙腈钾。考察了硝基乙腈钾合成中物料比、催化剂用量、反应温度和时间对反应产率的影响，将硝基乙腈钾的总产率由28.35%提高到37.71%。使用硝基乙腈钾代替现制备的硝基乙腈，与五元氮杂环的重氮盐进行偶联、环化反应，合成了新型氮杂稠环化合物3-硝基-4-氨基-7-氰基-［1,2,4］三唑［5,1-c］［1,2,4］三嗪（AITX）。表征了产物的结构，计算了性能参数。AITX的密度为1.64 g/cm3，氮质量分数达到47.80%，生成焓为772.43 kJ/mol。
Abstract:
Nitroacetonitrile potassium salt was synthesized via oxidation and hydrolysis using ethyl cyanoglyoxylate-2-oxime as raw materials. The effects of substrates ratio, reaction temperature, reaction time solvent was investigated, and the yield of nitroacetonitrile potassium salt was promoted from 28.35% to 37.71%. The new 1,2,4-triazine fused compounds 4-amino-3-nitroimidazo［5,1-c］［1,2,4］triazine-8-carbonitrile(AITX) was synthesized from coupled reaction and cyclization using nitroacetonitrile potassium salt. Structure of AITX was characterized and the properties was studied. Density of AITX is 1.64 g/cm3, mass fraction of nitrogen is 47.80% and enthalpy of formation is 772.43 kJ/mol.

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备注/Memo

备注/Memo:
基金项目：国家自然科学基金（21875185,22005238）
第一作者：陆婷婷（1986－），女，博士，副研究员，主要从事含能材料的合成及性能研究。E-mail:252525tt@163.com
通信作者：李建康（1966－），男，本科，高级工程师，主要从事含能材料的合成及性能研究。E-mail:tt252525@126.com
更新日期/Last Update: 2021-01-21